1Q55

w-shaped trans interactions of cadherins model based on fitting c- cadherin (1l3w) to 3d map of desmosomes obtained by electron tomography

• Total interactions analyzed: 6
• Total true interactions: 2
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 91
  • Norm. En. per Res.: 45.0565
• Hub Node: A(1)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-61.3125	106.5088	4335.54	4380.7363	84	578	3	12400	1	20	22
C-D	-59.1549	21.7345	4137.56	4100.1396	91	490	3	11856	0	25	24

Interface residues

• A-B: ALA43A, ALA80A, ALA80B, ASN27A, ASN27B, ASN97A, ASN97B, ASP1A, ASP1A5, ASP1B, CB3.0747896.39135, CB9.927565.57861, GLN23A, GLN23B, GLU89A, GLU89B, GLU90A, GLU90B, GLU93A, GLU93B, GLY58A, HIS79A, HIS79B, ILE24A, ILE24B, ILE38A, ILE38B, ILE4A, ILE4B, ILE53A, ILE7A, ILE7B, ILE94A, ILE94B, ILE96A, ILE96B, LEU21A, LEU76A, LEU76B, LYS25A, LYS25B, LYS28A, LYS28B, LYS73B, LYS8A, LYS8B, MET60A, MET60B, MET92A, MET92B, PHE51A, PRO5A, PRO5B, PRO6A, PRO6B, PRO87A, PRO87B, PRO91A, PRO91B, SER26A, SER26B, SER37A, SER77A, SER77B, SER78A, SER78B, THR39A, THR39B, THR95A, THR95B, TRP2A, TRP2B, TYR36A, TYR74A, TYR74B, VAL22A, VAL22B, VAL3A, VAL3B, VAL75A, VAL75B, VAL88A, VAL88B, VAL9A
• C-D: ALA43C, ALA80C, ALA80D, ARG20C, ARG20D, ARG30C, ARG30D, ARG52D, ASN27C, ASN27D, ASP1C, ASP1D, ASP29C, ASP29D, GLN23C, GLN23D, GLU54D, GLU89C, GLU89D, GLU90C, GLU90D, GLU93C, GLU93D, GLY58C, GLY58D, HIS79C, HIS79D, ILE24C, ILE24D, ILE38C, ILE38D, ILE4C, ILE4D, ILE53C, ILE53D, ILE7C, ILE94C, ILE94D, ILE96C, LEU21C, LEU21D, LEU61D, LEU76C, LYS25C, LYS25D, LYS28C, LYS28D, LYS8C, LYS8D, MET60C, MET60D, MET92C, MET92D, PHE31C, PHE51C, PRO5C, PRO5D, PRO6D, PRO91C, PRO91D, SER26C, SER26D, SER37C, SER37D, SER77C, SER77D, SER78C, SER78D, THR39C, THR57C, THR57D, THR95C, TRP2C, TRP2D, TRP55C, TRP55D, TRP59C, TRP59D, TYR35C, TYR36C, TYR36D, VAL22C, VAL22D, VAL34C, VAL34D, VAL3C, VAL3D, VAL75C, VAL81C, VAL88C, VAL88D